N-[3-(4-methoxyphenoxy)propyl]acetamide

C12H17NO3 — CID 60578635

IUPACN-[3-(4-methoxyphenoxy)propyl]acetamide
SMILESCOc1ccc(OCCCNC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-10(14)13-8-3-9-16-12-6-4-11(15-2)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyUAUUDMCRKCKMFA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds6

About N-[3-(4-methoxyphenoxy)propyl]acetamide

N-[3-(4-methoxyphenoxy)propyl]acetamide (PubChem CID 60578635) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[3-(4-methoxyphenoxy)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenoxy)propyl]acetamide
PubChem CID60578635
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[3-(4-methoxyphenoxy)propyl]acetamide
SMILESCOc1ccc(OCCCNC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-10(14)13-8-3-9-16-12-6-4-11(15-2)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyUAUUDMCRKCKMFA-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
(2S)-2-amino-N-[3-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide;hydrochloride
CID 119747949
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenoxy)propyl]acetamide?
The IUPAC name of N-[3-(4-methoxyphenoxy)propyl]acetamide (CID 60578635) is N-[3-(4-methoxyphenoxy)propyl]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenoxy)propyl]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenoxy)propyl]acetamide is COc1ccc(OCCCNC(C)=O)cc1.
What is the InChIKey of N-[3-(4-methoxyphenoxy)propyl]acetamide?
The InChIKey is UAUUDMCRKCKMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(14)13-8-3-9-16-12-6-4-11(15-2)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(4-methoxyphenoxy)propyl]acetamide?
N-[3-(4-methoxyphenoxy)propyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenoxy)propyl]acetamide is sourced from PubChem (CID 60578635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).